SCHEMBL395048

SCHEMBL395048

Cn1cc(C(=O)OCOC(=O)N(CC(=O)OCc2ccccc2)C(C)(C)C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
NR4A2 P43354 1/20 0.45
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
RASGRP1 O95267 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCE Q02156 1/20 0.38
P2RX7 Q99572 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL392972 0.88 NR4A2 (0.50) LMNANR4A2ALDH1A1POLBNPSR1
SCHEMBL394313 0.82 ADRB2 (0.42) LMNAALDH1A1POLBKMT2ATSHR
SCHEMBL393017 0.80 NPC1 (0.53) ALDH1A1POLBNPSR1MAPTKMT2A
SCHEMBL394005 0.80 ALDH1A1 (0.41) LMNAALDH1A1POLBTSHRL3MBTL1
SCHEMBL393274 0.79 SCN1A (0.44) LMNAALDH1A1KMT2AHTTTSHR
SCHEMBL394173 0.79 MAPT (0.47) LMNAALDH1A1POLBMAPTKMT2A
SCHEMBL392543 0.78 ALDH1A1 (0.40) LMNAALDH1A1POLBHTTTSHR
SCHEMBL395083 0.78 ALDH1A1 (0.41) LMNAALDH1A1POLBNPSR1MAPT
SCHEMBL395780 0.78 SCN1A (0.48) LMNAALDH1A1KMT2AHTTTSHR
SCHEMBL395208 0.78 ALDH1A1 (0.44) LMNAALDH1A1MAPTKMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 LMNA 2954/4885NR4A2 3247/4885ALDH1A1 1826/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.